N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide

C15H19N3OS — CID 47148519

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2nnc(C(C)(C)C)s2)c1
InChIInChI=1S/C15H19N3OS/c1-9-6-10(2)8-11(7-9)12(19)16-14-18-17-13(20-14)15(3,4)5/h6-8H,1-5H3,(H,16,18,19)
InChIKeyPCQCRPNYBHXPFH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.70
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide (PubChem CID 47148519) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
PubChem CID47148519
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2nnc(C(C)(C)C)s2)c1
InChIInChI=1S/C15H19N3OS/c1-9-6-10(2)8-11(7-9)12(19)16-14-18-17-13(20-14)15(3,4)5/h6-8H,1-5H3,(H,16,18,19)
InChIKeyPCQCRPNYBHXPFH-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide
CID 47316827
3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45269218
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
CID 47316960
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-nitrobenzamide
CID 67040350
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47316958
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide
CID 146126277

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide (CID 47148519) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2nnc(C(C)(C)C)s2)c1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide?
The InChIKey is PCQCRPNYBHXPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-6-10(2)8-11(7-9)12(19)16-14-18-17-13(20-14)15(3,4)5/h6-8H,1-5H3,(H,16,18,19).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide has a molecular weight of 289.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 47148519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).